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Hi doctor, did you explain SAR of : Buspirone,ondansetron, Mephenesin and chlorphenesin carbmate ??

Crystal clear concepts 🙌💫

Sir Its kind of a pleasure that i found your lecture here🙌 The way you are explaining each basic detail should appreciated ✨

Hello sir, Hope you are doing well. can you please tell me the specific principle of SBDD and LBDD

hii sir, i want this ppt slide or pdf file, please tell me how i can download it..

Thank you you such great person ❤

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U r helping me alot with my studies👏❤

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Hamda bibi Roll no: 17 Ans 1: computer aided drug design (CADD) involves all the computer assisted techniques that are used to discover, design and optimize biologically active compounds with evident of use as a drug having the desired structure and properties. Ans 2: Bioinformatics can be thought of as a Central hub that unites several discipline and methodologies bioinformatics methods are used extensively in molecular biology, genomics, proteomics, and in computer aided drug design (CADD) research

Amber Roll no: 01 Answer: 1: A pro-drug is a inert precursor of the drug that converts into pharmacologically active parent compound by biotransformation. 2: Carrier-linked Pro-drug Or Simple Pro-drugs are the ones where the active drug is covalently bind with an inert carrier or transport moiety. It increases the lipophilicity of drug molecule. 3: Three reasons for the synthesis of Prodrug are •Improvement of odor. •Enhance bioavailability. •Decrease toxicity and adverse reactions. 4: Phase I reactions, such as oxidation, reduction, phosphorylation and chemical activation etc.

Amber Roll no: 01 Answers: 1: CADD is also called computer assist molecular design(CAMD), it is the application of different computer software in the discovery and design of new drug molecule. 2: Bioinformatics is considered as a central hub that unites several disciplines,methodologies and technologies like information technology, information management etc. Bioinformatic methods are used extensively in molecular biology, genomics, proteomics.

Amber Roll no: 01 Answers: 1: LBDD is a method in which 3D structure of target protein is not known but knowledge of ligands is known, the ligands can be used to develop a pharmacophore model. 2: QSAR has been established by using a mathematical relationship between biological activity and measurable physicochemical parameters, these parameters are used to represent properties such as lipophilicity, shape and electron distribution. 3: LBDD techniques are: 1: Pharmacophore Modeling. 2: Quantitative Structure Activity Relationship (QSAR).

Amber Roll no: 01 Answers: 1: Computer aided drug design involve computer assisted technique the are used to discover, design and optimize biologically active compound with evident of use as a drug having the desired structure and properties. 2: 1: Structure based drug design (Direct approach). 2: Ligand based drug design (Indirect approach). 3: Structure based drug design relies on three dimensional structure of biological target obtained through methods such as x-rays, crystalography or NMR spectroscopy.

Amber Roll no: 01 Answers: 1: Glucocorticoids regulate carbohydrate, protein and lipid metabolism and involved in inflammation and immune responses. 2: Cortisone contain keto group at three positions (carbon no: 3,11,20) and OH group at carbon no 17 and 21 whereas Hydrocortisone is reduced form of Cortisone, keto group at C11 is converted into OH group. Hydrocortisone contain 2 ketone groups at carbon no 3 & 20 and three OH group at carbon no 11, 17 and 21. 3: Addition of unsaturation or Double bond b/w C1 and C2 in Cortisone, cause the conversation of Cortisone into Prednisone. Hydrocortisone is converted into prednisolone by addition of unsaturation b/w C1 and C2. 4: Betamethasone is 9alpha fluoro-16Betamethyl derivative of Hydrocortisone whereas Beclomethasone is 9alpha chloro derivative of Betamethasone. 5: Fludrocortisone is a derivative of Glucocorticoid I which fluorination is occured at 9 position on ring B, which inhance its activity.

Amber Roll no: 01 Answers: 1: Cortisol binds with Cortisol transporter such as albumin and corticosteroid binding globulin (CBG) or transcortin to reach to target organ. 2: At adipose tissue it cause lipolysis. At muscles and bones cause protein catabolism. At smooth muscle it increase sensitivity of adrenergic receptors, increase release of Norepinephrine and increase vasoconstriction and results in raised BP. Suppress immune system. 3: Cortisol facilates the combination of glycerol (end product of lipolysis) and Amino acid(end product of protein catabolism) to form glucose. 4: Negative feedback system of cortisol= Relatively very high concentration of cortisol release from adrenal gland cause the hypothalamus to send signals and decrease the release of corticotropin releasing hormone which reduce the release of ACTH, ACTH is responsible to release cortisol.

Amber Roll no: 01 Answers: 1: Cholesterol. 2: Aromatase enzyme is involved is the conversation of androgen into estrogen. 3: 1: Zona Glomerulosa. 2: Zona Fasciculata. 3: Zona Reticularis. 4: 3BHSD enzyme cause oxidation of alcohol at C3 present in pregnenolone and convert into ketone group. And cause isomerization of carbon no 5,6 double bond to Carbon no 4,5 double bond.

Amber Roll no: 01 Answers: 1:Chemical name of steroid nucleus is Cyclopentanoperhydrophenanthrene. 2: Cholesterol ring nucleus contains 27 carbon atoms. 3: Estrane is a C18 nucleus formed by the fusion of methyl group at C13 position in gonane ring, involved in the formation of Estrogen. Androstane is a C19 nucleus, methyl group is fused at carbon 10 position b/w A & B ring, involved in the formation of Androgen, testosterone, progesterone. 4: Glucocorticoids: Cortisone and Hydrocortisone. Mineralocorticoid: Aldosterone. 5: Spironolactone.

Amber Roll no: 01 Answer: 1: a) Aromatic Hydroxylation: Propranolol, Phenobarbital, Phenytoin, Phenylbutazone, atorvastatin, Ethinyl estradiol, and warfarin. b) Reduction: Nitrazepam, Prontosil, Halothane, Methadone, Chloral hydrate and Naltrexone. c) Hydrolysis: Ester and amide prodrugs, Aspirin. 2: Substitution of activated electron rich ring cause rapid hydroxylation whereas Deactivated aromatic rings(containing electron withdrawing groups) are generally resistant hydroxylation.

Rabia Roll no: 35 ANSWERS 01: In ligand based drug design the 3D structure of target protein is not known. But the knowledge of ligands which binds to the desired target site is known. 02: Quantitative structure-activity relationship is a type of legand based drug design. It is a technique which provide a mathematical relationship between biological activity and measurable Physicochemical parameters in equation form. 03: 1- QSAR 2- Phamracophore modeling

Rabia Roll no: 35 ANSWERS 01: Computer aided drug design involve computational techniques to design, discover and optimization of bio active compouns with evident use of drug having desired structure and properties. 02: Approaches of computer aided drug design involve: 1- structure based drug design or direct approach 2- ligand based drug design or indirect approach. 03: Structure based drug design is based on the knowledge of 3D structure of biological target( protein) obtained through methods such as: x-ray crystallography or NMR spectroscopy.

Rabia Roll: 35 ANSWERS 01: Computer aided drug design involve techniques that are used to design, discover and optimize biologically active compounds into drug having desired structure and properties. 02: Bioinformatics can be thought of as a central hub that united several discipline and methodologies. Bioinformatic methods are used extensively in genomics, proteomics and molecular biology and in computer aided drug design research.

Rabia Roll no: 35 ANSWERS 01: Glucocorticoid helps in the metabolism of carbohydrates, protein and fats. It also perform inflammatory response in body. 02: Hydrocortisone is reduced form of cortisone. In hydrocortisone hydroxy group is present at C11. Hydrocortisone has more glucocorticoid activity than cortisone. 03: Prednisolone can be formed by addition of double bond at C1 and C2 position in hydrocortisone. Prednisone is formed by addition of double bond at C1 and C2 position in cortisone. 04: In BECIOMETHASONE chlorine is present at C 9 position while in BETAMETHASONE flourine is present at C 9 position. 05: It is commercially available mineralocorticoid which contain flourine at carbon 7 which increases both glucocorticoid and mineralocorticoid activity.

Rabia Roll no: 35 ANSWERS 01: Cortisol is carried to the target organ by albumin 25% and corticosteroid binding globulin (transcortin) 75% 02: Cortisol in adipose tissues results in lipolysis (conversion of triglycerides to fatty acids and glycerol. 03: Cortisol causes regulation of carbohydrate metabolism in liver and results in gluconeogenesis, it is a process where glucose is formed by non carbohydrate source 04: If cortisol is released in larger quantity then hypothalamus is stimulated and which decreases the release of CRH and in turn release of ACTH decreases and release of cortisol also decreases.

Rabia Roll no: 35 ANSWERS 01: Adrenocorticotropic hormone results in the release of cortisol 02: side chain cleavage enzyme removes side chain of C22 to C27 in cholesterol to form pregnenolone with 21 carbon atoms. 03: 3BHSD helps in the conversation of pregnenolone to progesterone by converting alcohol into ketone, as oxidation occur at 3rd position and shift of =bond 04: 3BHSD convert pregnenolone to progesterone 05: aldosterone is released from outer region ( zona glomerulosa) of adrenal cortex

Rabia Roll no: 35 ANSWERS 01: steroid hormone is the basic precursor for the synthesis of cholesterol. 02: conversation of androgen into estrogen is done by aromatase enzyme 03: Zona glomerulosa Zona fasciculata Zona reticularis 04: 3BHSD enzyme oxidizes alcohol at carbon 3 into a ketone, results in the isomerization of 5,6 double bond into 4,5 double bond.

Rabia Roll no: 35 ANSWERS 01: cyclopentanoperhydrophentherene 02: 27 carbon atoms 03: Estrane has 18 carbon nucleus that is responsible for the structure of estrogen hormone Androstane has 19 carbon nucleus that is responsible for the structure of androgen hormones. 04: Glucocorticoids: cortisone, hydrocortisone Mineralocorticoid: aldosterone 05: spironolactone

Rabia Roll no: 35 ANSWERS 01: Prodrug is a chemically modified inert precursor of drug that on metabolism generates pharmacologically active compound 02: carrier linked prodrugs are the one where the active drug is covalently linked to inert carrier or transport moiety. 03: To enhance permeation of drug in biological membrane To increase site specificity To enhance bioavailability. 04: Oxidation Reduction Phosphorylation

Rabia Roll no: 35 ANSWERS 01: AROMATIC HYDROXYLATION: phenytoin, phenylbutazone, propranolol, phenobarbital, atorvastatin. REDUCTION: methadone, chloral hydrate, naltrexone, halothane. HYDROLYSIS: aspirin, procainamide. 02: 1- In activated (electron rich) ring aromatic hydroxylation reaction proceed more rapidly 2- deactivated aromatic ring are resistant to hydroxylation 3- A compound with two aromatic rings, hydroxylation occur at more electron rich ring

Sonia Rollno45 Ans1:ACTH is the stimului for the release of cortisol. Ans2: side chain cleavage enzyme remove varbon atom side chain of cholesterol from C22 to C27 and the molecule from that is pregnenolone. Ans3: The role of 3bhsd is to convert pregnenolone into progesterone by oxidation at C3 and convert OH group into ketone and shift double bond from C5 to C3 Ans4:when 3bhsd act pregnenolone then progesterone is form Ans5: aldosterone relase outer region of zona Glomerulosa .

Saira majeed Roll no 36. Ans:aromatic hydroxylation: propanolol, phenobarbital warfarin Reduction:Nitrazepam. Hydrolysis:Aspirin Ans:substitution that effect Aromatic oxidation at high rate that can cause electron rich specie oxidation like cl,N, cooh etc.

Sameet fatima Roll no 37 Q:1 Ans LBDD is define as the 3D structure of the target protein is not known but the knowledge of ligands which binds to the desired target site is known. Q:2 Ans QSAR is mathematical relationship between biological activity and measurable physiochemical parameters in the form of an equation. Q:3 Ans 1) Pharmacophore based approach. 2) Quantitative structure activity relationship.

Sameet fatima Roll no 37 Q:1 Ans CADD(Computer Aided Drug Design) involve computational techniques used to discover, design, optimization of bioactive compounds with evident use of drug having desired structure and properties. Q:2 Ans 1) Structure based drug design or direct approach. 2) ligand based drug design or indirect approach Q:3 Ans SBDD based on the knowledge of 3D structure of biological target(protein) obtained through method such as x-ray crytallography or NMR spectroscopy.

Sawera Mushtaque Ahmed Roll no 42 1 ) LBDD it is technique in which 3D structure of target protein is not known but the knowledge of ligand which bind to desired target site is known . 2) QSAR it is one of the LBDD technique that is established by using mathematical relationship between biological activity and measurable physicochemical parameter . 3) pharmacophore based approach and QSAR

Sawera Mushtaque Ahmed Roll no 42 Q no 1 CADD also called CAMD .its the application of computer software which used to optimize the biological active compound Q no 2) 1) structure based drug design /direct approach . 2) ligand based drug design /indirect approach . Q no 3) SBDD is the knowledge of the three dimensional of the biological target obtained through methods such as X-ray crystallography or NMR spectroscopy.

Sawera Mushtaque Ahmed Roll no 42 CADD involves all computer technique that can used to discover,design and optimize biologically active compound with evident use of drug having desired structure and properties Ans 2) Application of information technology in the field of biological sciences like the use of different computational resources different database program in carry of information in different biological sciences fields .

Sawera Mushtaque ahmed Roll no 42 Answer 1) Glucocorticoid involves in metabolism of carbohydrates ,protein and fats. They also have an important role in the inflammation and immunity responses inside the body Ans 2) HYDROCORTISONE : is the reduced form of cortisone .In Hydrocortisone ,Hydroxy group is present at C-11 instead of ketone due to this reduction ,hydrocortisone has more GLUCOCORTICOID activity than cortisone . Ans 3) PRESNISOLONE. By adding a double bond solution in the C1 C2 positions in the hydrocortisone ,prednisolone can be synthesized. Ans 4) BECIOMETHASONE contains chlorine at c-9 position while BETAMETHASONE contains fluorine at C-9 position . The difference between these structure is the only difference in the halogen atom . Ans 5) FLUDROCORTISONE is commercially available MINERAL OCORTICOID ,it contains flourine at C-9 position which enhances its both MINERAL OCORTICOID(800 times more ) and GLUCOCORTICOID (11 times more ) Activity .

Sawera Mushtaque Ahmed Roll no 42 Ans 1) cortisol is carried to the target organ through the transport proteins. 1 albumin 2) CBG Ans 2 ) effect of cortisol on adipose tissues cause lipolysis . Ans 3) when it reaches liver it starts to produce glucose from non carbohydrates Ans 4 ) when cortisol level is high then hypothalamus decrease release of corticotropic hormone which send signals to interior pituitary gland to suppress production of ACTH which is responsible for the release of cortisol from adrenal cortex.

Sameet fatima Roll no 37 Q:1 Ans Function of glucocorticoids is to regulate the carbohydrates, protein, and fat and involved in the operation of the processes that enable the body to resist infections and stress. Q:2 Ans • Hydrocortisone is the reduce form of cortisone and is more active • Hydrocortisone contain OH group at C-11 meanwhile cortisone contain keto group at C-11. Q:3 Ans Addition of double bond at C-1 and C-2 position of cortisone and hydrocortisone will lead to the formation of prednisone( by cortisone) and prednisolone( by hydrocortisone). Q:4 Ans Beclomethasone contain chlorine at C-9 and betamethasone contain flourine at C-9. Q:5 Ans Flourination at C-9 on ring B in prednisolone will form fludrocortisone.

Sawera Mushtaque Ahmed Roll no 42 ACTH is the stimuli for the release of cortisol for for zona fasiculuta . 2) side chain cleavage enzyme remove the carbon atom side chain of cholestrol from c22 to c27 3) it convert the pregenelonone into progestrone by converting alcohol group to ketone as oxidation take place at 3rd position and shifting of bond take place . 4) pregenelonone is converted into progesterone by reacting with 3BHSD enzyme . 5) aldosterone is released from outer region of zona glomerulosa.

Sawera mushtaque ahmed Ans 1 Cholestrol is the basic precursor for the steroid hormones biosynthesis. Ans 2 Aromatase enzyme involved in the conversion of androgen C-19 to eatrogen C-18. Ans 3 3 regions of adrenal cortex Zuna glumerulosa Zona faciculata Zona reticularise Ans 4 Role of 3BHSD enzyme Prognenolone is concerted into progesterone by the oxidation of hydroxyl groups at C3 to ketone and isomerization of 5-6 double bonds to 4-5 double bond .

Sawera mushtaque ahmed Ans 1 Cholestrol is the basic precursor for the steroid hormones biosynthesis. Ans 2 Aromatase enzyme involved in the conversion of androgen C-19 to eatrogen C-18. Ans 3 3 regions of adrenal cortex Zuna glumerulosa Zona faciculata Zona reticularise Ans 4 Role of 3BHSD enzyme Prognenolone is concerted into progesterone by the oxidation of hydroxyl groups at C3 to ketone and isomerization of 5-6 double bonds to 4-5 double bond .

Sawera mushtaque ahmed Roll no 42 Ans 01 :cyclopentano perhydro phenanthrene Ans 02 27 carbon atoms Ans 3 ESTRANE C-18 nucleus C-18 position site of ring fusion It involves in the formation of estrogen ANDROSTANE : C-19 nucleus C-19 near C-10 between A and B rings It involves in the formation of androgen (progestrone and testosterone ) Ans 04 Glucocorticoids :cortisone and hydrocortisone Mineralocorticoids :Androgen Ans 5 spiranolactone .

Noor e Sehar Roll no:33 Ans:1 Ligand based drug design (LBDD) is a technique in which 3D structure of target protein is not known but the knowledge of ligands which binds to the desired target site is known. Ans:2 Quantitative Structure Activity Relationships (QSARS) is technique which provide a methematical relationship between biological activity and measurable physiochemical parameters in the form of an equation. General form of QSAR equation is: Biological activity= Function {Parameter(s)} Ans:3 Example of LBDD techniques are: i) Pharmacophore Modeling. ii) Quantitative Structure Activity Relationship (QSAR).

Sawera mushtaque Roll no 42 1 prodrugs are medicaments that turn into an active form once they enter the body .prodrug is also called as bio agent ,bio reversible derivative . 2 Active drug is covalently linked to the invert transport or moiety .The active drug is released by chemically . 3 a) improvement of odour b) increased site specificity C ) to enhance the bioavailablity 4 phase 1- reactions ,oxidation and reductions reactions are used .

Sawera mushtaque Roll no 42 Q1 Ans aromatic hydroxylation examples propranolol, phenobarbital, phenytoin, phenylbutazone, atorvastatin ,warfarin B reducation examples Nitrazepam and prontosil C hydrolysis examples Aspirin ,procainamide Q2 Aromatic Oxidation substituents attached to may influence the ease of hydroxylation Microsomal aromatic hydroxylation reactions appears to proceed most readly in activated (electron rich )rings . Withdrawing groups are generally slow or resistant to hydroxylation .

Noor e Sehar Roll no:33 Ans:1 Computer aided drug design (CADD) involves all the computer assisted techniques that are used to discover, design, and optimize biologically active compounds with evident of use as a drug having the desired structure and properties. Ans:2 There are two main types of approaches for drug design through CADD: i) structure based drug design/direct approach. ii) ligand based drug design/indirect approach. Ans:3 Structure based drug design (SBDD) relies on knowledge of the three dimensional structure of the biological target (proteins) obtained through methods such as x-ray crystallography or NMR spectroscopy.

Noor e Sehar Roll no:33 Ans:1 Computer aided drug design (CADD) involves all the computer assisted techniques that are used to discover,design, and optimize biologically active compounds with evident of use as a drug having the desired structure and properties. Ans:2 Bioinformatics can be thought of as a Central hub that unites several discipline and methodologies. Bioinformatic methods are used extensively in molecular biology, genomics, proteomics, and in computer aided drug design (CADD) research.

Asma umer roll no 7 Ans 1. CADD involves all computer technique that can used to discover , design and optimise. Biologically active compound with evident use of drug having desired structure propertise. Ans 2. Application of information technology in the field of biological sciences like the use of different computational resources diffrent database program in carry of information in different biological sciences fields.